S-nitrosoglutathione reductase (gsnor) in complex with N6022

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 26% strand (DSSP).

Ligands and binding sites

• N2P · Pentane-1,5-diamine · ligand · 3 copies · chains A, B
• NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
• 022 · 3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1H-imidazol-1-yl)phenyl]-1H-pyrrol-2-yl}propanoic acid · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · 4 copies · chains A, B
• K · Potassium ion · metal · 2 copies · chains A, B
• 1PE · Pentaethylene glycol · additive · 3 copies · chains A, B
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1675 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

• 3QJ5 · S-nitrosoglutathione reductase (GSNOR) in complex with N6022 · the same entry in another collection · chain A against A, TM-score 1.00
• P11766 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase class-3 (P11766) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P11766
• Elsewhere: RCSB PDB 3QJ5 · PDBe 3QJ5 · UniProt P11766